SCHEMBL9966618

SCHEMBL9966618

CCCCCCCCCc1ccc2ccc(CCCCCCCCC)c(S(=O)(=O)O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 2/20 0.42
PPARA Q07869 1/20 0.42
TLR8 Q9NR97 3/20 0.41
S1PR2 O95136 2/20 0.41
S1PR1 P21453 2/20 0.41
S1PR3 Q99500 2/20 0.41
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
TP53 P04637 2/20 0.41
CYP3A4 P08684 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SHBG P04278 1/20 0.41
HSPD1 P10809 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11514039 0.94 CYP1A2 (0.40) TLR8CYP3A4KDM4EALDH1A1LMNA
SCHEMBL27995540 0.91 KAT8 (0.41) KAT8PPARATLR8S1PR2S1PR1
SCHEMBL8026073 0.90 TLR8 (0.40) KAT8PPARATLR8S1PR2S1PR1
SCHEMBL8026398 0.90 TLR8 (0.40) KAT8PPARATLR8S1PR2S1PR1
SCHEMBL11511344 0.85 CA2 (0.39) TLR8S1PR1S1PR3CYP3A4KDM4E
SCHEMBL2022680 0.83 SLC2A1 (0.48) TP53CYP3A4KDM4EALDH1A1HSD17B10
SCHEMBL19137815 0.83 SLC2A1 (0.48) TP53CYP3A4KDM4EALDH1A1HSD17B10
SCHEMBL19137850 0.83 SLC2A1 (0.48) TP53CYP3A4KDM4EALDH1A1HSD17B10
SCHEMBL2255815 0.83 SLC2A1 (0.48) TP53CYP3A4KDM4EALDH1A1HSD17B10
SCHEMBL19137802 0.83 SLC2A1 (0.48) TP53CYP3A4KDM4EALDH1A1HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120182666-A1 CONDUCTIVE POLYMER COMPOSITES LUMIMOVE, INC. D/B/A CROSSLINK (US) 2012-07-19 US disclosed
US-20120154980-A1 CONDUCTIVE POLYMER COMPOSITES LUMIMOVE, INC., D/B/A CROSSLINK (US) 2012-06-21 US disclosed